(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadeca-3,6-dien-5-one

Compound number:
MolPort-006-112-733
CAS number: 981-34-0
IUPAC:
(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadeca-3,6-dien-5-one
IUPAC traditional:
(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.0¹,¹⁷.0²,⁷.0¹¹,¹⁵]octadeca-3,6-dien-5-one
SMILES:
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
InChI key:
GBDXNHBVYAMODG-DEGNENOVSA-N
Molecular formula:
C22H28O5
Molecular weight: 372.461
Sample Reformatting

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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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More Information

Compound Identifiers
Compound number: MolPort-006-112-733
CAS number: 981-34-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000006066702
MFCD09038712
16-beta Methyl Epoxide
(4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
(9β,11β,16β)-9,11-Epoxy-17,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-,(9b,11b,16b)-

InChI
InChI: 1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
InChI key: GBDXNHBVYAMODG-DEGNENOVSA-N

Calculated Properties
Molecular formula: C22H28O5
Molecular weight: 372.461

Other

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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