(Q105177911)

English

(5R)-4-[(3R)-3-[(5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one

group of stereoisomers with the chemical formula C₂₉H₄₄O₈

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

520.303618368 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₄O₈

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canonical SMILES

O=C1OC(C)C(CC(O)C(O)(C)C2CCC3(O)C4=CC(=O)C5CC(O)C(O)CC5(C)C4CCC23C)C1C

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isomeric SMILES

CC1C(=O)O[C@H](C)C1CC(O)[C@](C)(O)C1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C

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Identifiers

InChI

InChI=1S/C29H44O8/c1-14-16(15(2)37-25(14)34)10-24(33)28(5,35)23-7-9-29(36)18-11-20(30)19-12-21(31)22(32)13-26(19,3)17(18)6-8-27(23,29)4/h11,14-17,19,21-24,31-33,35-36H,6-10,12-13H2,1-5H3/t14?,15-,16?,17?,19+,21-,22+,23?,24?,26-,27-,28-,29?/m1/s1

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InChIKey

NEFYSBQJYCICOG-XJZTZWIWSA-N

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PubChem CID

5318540

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NEFYSBQJYCICOG-XJZTZWIWSA-N

1 reference

(Q105177911)

(5R)-4-[(3R)-3-[(5aR,7R,8S,9aR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3,5-dimethyloxolan-2-one

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