(Q105023402)

English

(3S,5R,8R,9R,10R,13R,14R,17R)-17-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-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

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

1 reference

based on heuristic

inferred from SMILES

mass

444.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₂

0 references

canonical SMILES

OC1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C(C)CC=CC(O)(C)C)C1(C)C

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isomeric SMILES

C[C@@H](C/C=C/C(C)(C)O)[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

0 references

found in taxon

Santolina oblongifolia

1 reference

stated in

Tetracyclic triterpenes and nerolidol derivatives from Santolina oblongifolia

Identifiers

InChI

InChI=1S/C30H52O2/c1-20(10-9-16-26(2,3)32)21-13-18-29(7)22(21)11-12-24-28(6)17-15-25(31)27(4,5)23(28)14-19-30(24,29)8/h9,16,20-25,31-32H,10-15,17-19H2,1-8H3/b16-9+/t20-,21+,22+,23-,24+,25-,28-,29+,30+/m0/s1

0 references

InChIKey

GXUGHIFGMWNGAW-FNUQFGNCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GXUGHIFGMWNGAW-FNUQFGNCSA-N

(Q105023402)

(3S,5R,8R,9R,10R,13R,14R,17R)-17-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-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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