[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl acetate

Compound number:
MolPort-005-945-339
IUPAC:
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-3a-yl]methyl acetate
IUPAC traditional:
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate
SMILES:
CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C |r|
InChI key:
MIROITGPMGDCGI-MQXQNARFSA-N
Molecular formula:
C34H54O4
Molecular weight: 526.802
Solubility: not available
Sample Reformatting

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 95
Last updated: > 3 months ago In warehouse: 50.00 mg
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3 mg December 17, 2019 35.00 USD
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5 mg December 17, 2019 55.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-005-945-339

Names, Synonyms and 3rd Party Identifiers

InChI
InChI: 1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1
InChI key: MIROITGPMGDCGI-MQXQNARFSA-N

Calculated Properties
Molecular formula: C34H54O4
Molecular weight: 526.802

Other

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2019 MolPort, v3.28, release date 17-11-2019 13:00 (+0200). All rights reserved.
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