(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4a,5,6,6a,9,10,10a,10b-decahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-10-yl 2-methylpropanoate

Compound number:
MolPort-035-705-823
CAS number: 1207181-61-0
IUPAC:
(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-1,2,4a,5,6,6a,9,10,10a,10b-decahydrospiro[naphtho[2,1-b]pyran-3,3'-oxolan]-10-yl 2-methylpropanoate
IUPAC traditional:
(3S,4aR,5S,6R,6aR,10R,10aS,10bR)-5,6-bis(acetyloxy)-4a,6a,7,10b-tetramethyl-5'-oxo-2,5,6,9,10,10a-hexahydro-1H-spiro[naphtho[2,1-b]pyran-3,3'-oxolan]-10-yl 2-methylpropanoate
SMILES:
CC(C)C(=O)O[C@@H]1CC=C(C)[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)O[C@@]4(COC(=O)C4)CC[C@]3(C)[C@@H]12 |t:8|
InChI key:
HGPSPRNFABBWFI-URBRYQCVSA-N
Molecular formula:
C28H40O9
Molecular weight: 520.619
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
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5 mg January 31, 2020 643.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-035-705-823
CAS number: 1207181-61-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000096023698
MFCD20260658
Scutebata E

InChI
InChI: 1S/C28H40O9/c1-15(2)24(32)36-19-10-9-16(3)26(7)21(19)25(6)11-12-28(13-20(31)33-14-28)37-27(25,8)23(35-18(5)30)22(26)34-17(4)29/h9,15,19,21-23H,10-14H2,1-8H3/t19-,21-,22+,23+,25-,26+,27+,28+/m1/s1
InChI key: HGPSPRNFABBWFI-URBRYQCVSA-N

Calculated Properties
Molecular formula: C28H40O9
Molecular weight: 520.619

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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