(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Compound number:
MolPort-020-005-785
CAS number: 67416-61-9
IUPAC:
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
IUPAC traditional:
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-(acetyloxy)-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
SMILES:
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C |r,c:10|
InChI key:
HMMGKOVEOFBCAU-BCDBGHSCSA-N
Molecular formula:
C32H48O5
Molecular weight: 512.731

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Catalog: Screening compound Ships out: 20 business days Purity: >=95%
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
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Catalog: Made to order Ships out: 20 business days Purity: 98% (HPLC), powder
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More Information

Compound Identifiers
Compound number: MolPort-020-005-785
CAS number: 67416-61-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000014089767
MFCD03788777
(3?,4?)-3-(acetyloxy)-11-oxo-urs-12-en-23-oic acid
3-Acetyl-11-keto-??-boswellic Acid
3-acetyl-11-keto-?-Boswellic Acid
3-O-Acetyl-11-keto-beta-boswellic acid
Acetyl-11-keto-¦Â-boswellic acid
Acetyl-11-keto-beta-boswellic acid
Acetyl-11-keto-??-boswellic acid
Acetyl-11-keto-β-boswellic acid
AKBA
Fiveleaf Gynostemma Herb

InChI
InChI: 1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-/m1/s1
InChI key: HMMGKOVEOFBCAU-BCDBGHSCSA-N

Calculated Properties
Molecular formula: C32H48O5
Molecular weight: 512.731

Other

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2019 MolPort, v3.07, release date 17-07-2019 14:00 (+0200). All rights reserved.
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