(Q104911329)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

462.407295588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₄O₃

0 references

canonical SMILES

OC(CC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)C(C)C

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isomeric SMILES

CC(C)[C@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C

0 references

found in taxon

Turraea pubescens

1 reference

stated in

Cytotoxic Terpenoids fromTurraea pubescens

Identifiers

InChI

InChI=1S/C30H54O3/c1-18(2)26(33)23(31)17-19(3)20-11-15-30(8)22-9-10-24-27(4,5)25(32)13-14-28(24,6)21(22)12-16-29(20,30)7/h18-26,31-33H,9-17H2,1-8H3/t19-,20-,21-,22+,23+,24-,25-,26-,28+,29-,30+/m0/s1

0 references

InChIKey

AFMHTBFFAPDHHQ-SLUKOPJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AFMHTBFFAPDHHQ-SLUKOPJOSA-N

(Q104911329)

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

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Identifiers

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