(Q105351455)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

458.37599546 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

OCC1(C)C(O)CCC2(C)C3CC=C4C5CC(C)(C)CC(O)C5(C)CCC4(C)C3(C)CCC12

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isomeric SMILES

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

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found in taxon

Abrus melanospermus

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stated in

Isolation and structural elucidation of some sapogenols from Abrus cantoniensis

Lupinus verbasciformis

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stated in

Chemical studies on the constituents of Lupinus verbasciformis

Melilotus officinalis

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stated in

Soyasapogenols B and E fromMelilotus officinalis

Phaseolus vulgaris

1 reference

stated in

Phytosterols and Triterpenes in the Roots of the “Kidney Bean” (Phaseolus vulgarisL.)

Ulex parviflorus

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stated in

A pterocarpan from Ulex parviflorus

reversed clover

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stated in

Saponins and polar compounds from Trifolium resupinatum

Pueraria montana var. lobata

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stated in

Oleanene-sapogenols from puerariae radix.

Identifiers

InChI

InChI=1S/C30H50O3/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/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1

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InChIKey

YOQAQNKGFOLRGT-RGIWYROCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YOQAQNKGFOLRGT-RGIWYROCSA-N

(Q105351455)

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

Statements

Identifiers

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