(2R,4aR,6aR,6bS,8aS,10R,12aR,14bS)-10-[(3-carboxypropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid



Compound number:
MolPort-047-585-494
CAS number: 5697-56-3
IUPAC:
(2R,4aR,6aR,6bS,8aS,10R,12aR,14bS)-10-[(3-carboxypropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
IUPAC traditional:
(2R,4aR,6aR,6bS,8aS,10R,12aR,14bS)-10-[(3-carboxypropanoyl)oxy]-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylic acid
SMILES:
CC1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@]1(C)C2C(=O)C=C2[C@H]3C[C@@](C)(CC[C@@]3(C)CC[C@]12C)C(O)=O)OC(=O)CCC(O)=O |t:18|
InChI key:
OBZHEBDUNPOCJG-PYWXHHDXSA-N
Molecular formula:
C34H50O7
Molecular weight: 570.767
Solubility: not available

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Catalog: Screening compound Ships out: 7 business days Purity: HPLC>=95%
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More Information

Compound Identifiers
Compound number: MolPort-047-585-494
CAS number: 5697-56-3

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27?,30+,31-,32-,33+,34+/m1/s1
InChI key: OBZHEBDUNPOCJG-PYWXHHDXSA-N

Calculated Properties
Molecular formula: C34H50O7
Molecular weight: 570.767

Other

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