methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

Compound number:
MolPort-000-881-944
CAS number: 50-55-5
IUPAC:
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate
IUPAC traditional:
reserpine
SMILES:
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
InChI key:
QEVHRUUCFGRFIF-MDEJGZGSSA-N
Molecular formula:
C33H40N2O9
Molecular weight: 608.688

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Catalog: Screening compound Ships out: 10 business days Purity: 90+% BY 1H NMR
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Catalog: Screening compound Ships out: 7 business days Purity: 99.60%
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100 mg September 4, 2019 95.00 USD
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1 g September 4, 2019 110.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
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Catalog: Building blocks Ships out: 10 business days Purity: n/a
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Catalog: Building blocks Ships out: 10 business days Purity: 99%
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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1 g September 4, 2019 157.00 USD
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5 g September 4, 2019 397.00 USD
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Catalog: Made to order Ships out: 15 business days Purity: >97%
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5 mg September 11, 2019 24.95 USD
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10 mg September 11, 2019 31.19 USD
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More Information

Compound Identifiers
Compound number: MolPort-000-881-944
CAS number: 50-55-5

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00005091
MFCD00599573
(1S,2R,3R,4aS,13bR,14aS)-2,11-Dimethoxy-3-(3,4,5-trimethoxy-benzoyloxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
(1S,2R,3R,4aS,13bR,14aS)-methyl 2,11-dimethoxy-3-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydroindolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylate
(3?,16?,17?,18?,20?)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-yohimban-16-carboxylic acid, methyl ester
Deserpine
Yohimban-16-carboxylic acid,11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[(3,4,5-trimethoxyphenyl)carbonyloxy]-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate
methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate
Reserpin
reserpine
SerpalanSerpasilSerpivite
Serpasil

InChI
InChI: 1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChI key: QEVHRUUCFGRFIF-MDEJGZGSSA-N

Calculated Properties
Molecular formula: C33H40N2O9
Molecular weight: 608.688

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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