(Q105203947)

English

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R,3E,5E)-5-propan-2-ylhepta-3,5-dien-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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instance of

type of chemical entity

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subclass of

10,13-dimethyl-17-(5-propan-2-ylhepta-3,5-dien-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

1 reference

based on heuristic

inferred from SMILES

mass

408.339216028 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O

0 references

canonical SMILES

OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(=CC)C(C)C)C)C2(C)CC1

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isomeric SMILES

C/C=C(/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C

0 references

found in taxon

Ononis natrix

1 reference

stated in

3,4-dihydroisocoumarins from Ononis natrix

Identifiers

InChI

InChI=1S/C29H44O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7-11,19-20,23,25-27,30H,12-18H2,1-6H3/b9-8+,21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1

0 references

InChIKey

OZNMJHSEUFVTTG-LTUFDPHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OZNMJHSEUFVTTG-LTUFDPHHSA-N

(Q105203947)

(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R,3E,5E)-5-propan-2-ylhepta-3,5-dien-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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