(Q105173388)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

476.386560144 dalton

1 reference

2 references

inferred from InChIKey

1 reference

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₄

0 references

canonical SMILES

OC(CC(C)C1CCC2(C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C)C(O)C(O)(C)C

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isomeric SMILES

C[C@@H](C[C@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C

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found in taxon

Phellodendron chinense

1 reference

stated in

New protolimonoids from the fruits of Phellodendron chinense

Walsura trifoliolata

1 reference

stated in

Triterpenoids from walsura piscidia

Identifiers

InChI

InChI=1S/C30H52O4/c1-18(17-22(31)25(33)27(4,5)34)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-25,31-34H,10-17H2,1-8H3/t18-,19-,20-,22-,23-,24-,25-,28+,29-,30+/m0/s1

0 references

InChIKey

MVWLZBQPRMCRKT-JGZQCJCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVWLZBQPRMCRKT-JGZQCJCKSA-N

(Q105173388)

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

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