(Q104913616)

English

(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-(Hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

454.344695332 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aS,6aS,6bR,8aS,12aR,14aS,14bS)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₃

0 references

canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CC=C4C5CC(C)(C)CC(=O)C5(C)CCC43C)C1(C)CO

0 references

isomeric SMILES

CC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1

0 references

found in taxon

Melilotus messanensis

1 reference

stated in

Bioactive polar triterpenoids from Melilotus messanensis

Oxytropis falcata

1 reference

stated in

24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata

Streptomyces

1 reference

stated in

Production of oleanene triterpenes by Streptomyces.

Melilotus siculus

1 reference

stated in

Bioactive polar triterpenoids from Melilotus messanensis

Identifiers

InChI

InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1

0 references

InChIKey

AKFPPARWAOGYCP-QMTZRBPCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKFPPARWAOGYCP-QMTZRBPCSA-N

ChEBI ID

212470

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C30H46O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-22,31H,9-18H2,1-7H3/t20-,21+,22+,26+,27-,28+,29+,30+/m0/s1

1 reference

Natural Product Atlas ID

NPA031420

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AKFPPARWAOGYCP-QMTZRBPCSA-N

(Q104913616)

(4S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,4a,5,6,7,8,10,12,12a,14,14a-dodecahydropicene-3,9-dione

Statements

Identifiers

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