(Q105322908)

English

(3S,5R,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3aR,3bR,5aR,7S,9aR,9bR)-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,5-dien-2-yl)-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol

1 reference

based on heuristic

inferred from SMILES

Dammara-20,24-dien-3 beta-ol

1 reference

based on heuristic

inferred from SMILES

mass

426.38616622 dalton

1 reference

1 reference

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(C(=C)CCC=C(C)C)CCC43C)C1(C)C

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isomeric SMILES

C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C

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found in taxon

Euphorbia segetalis

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stated in

A Tetracyclic diterpene and triterpenes from euphorbia segetalis

Inula helenium

1 reference

stated in

Lactones ofInula helenium

Identifiers

InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3/t22-,23-,24+,25-,26+,28-,29-,30-/m1/s1

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InChIKey

WZAMDSBJONFHAO-SJHNQIAUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZAMDSBJONFHAO-SJHNQIAUSA-N

(Q105322908)

(3S,5R,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Identifiers

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